0 B12R1.78 COC1=C(OC)N=C(C#N)C=C1 HB551-1 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 HB547-1 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.78 COC1=C(OC)N=C(CO)C=C1 HB549-1 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.78 COC1=C(OC)N=CC(C#N)=C1 HB416-1 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.78 COC1=C(OC)N=CC(C=O)=C1 HB409-1 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.78 COC1=C(OC)N=CC(CO)=C1 HB413-1 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.78 COC1=CC=C(OC)C(OC)=N1 HB536-1 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.37 COC1=C(OC)N=C(C)C=C1 HB553-1 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 HB544-1 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.37 COC1=C(OC)N=C(O)C=C1 HB546-1 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.37 COC1=C(OC)N=CC(I)=C1 HB422-1 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.37 COC1=CC(Br)=CN=C1OC HB396-1 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.37 COC1=CC(Cl)=CN=C1OC HB327-1 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.37 COC1=CC(O)=CN=C1OC HB465-1 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.37 COC1=CC=C(I)N=C1OC HB538-1 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 HB543-1 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.386 COC1=C(OC)N=C(\C=N\O)C=C1 HB552-1 [0,1,0,0,0,0|1,0,1]=3 17 B13R1.386 COC1=C(OC)N=CC(\C=N\O)=C1 HB415-1 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.434 COC1=CC(I)=C(OC)C(OC)=N1 HB189-1 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.434 COC1=CC(O)=C(OC)C(OC)=N1 HB193-1 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.2200 COC1=CC(I)=C(OC)N=C1OC HB205-1 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.2200 COC1=CC(O)=C(OC)N=C1OC HB208-1 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 HB548-1 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.3091 COC1=C(OC)N=CC(C(=O)O)=C1 HB446-1 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.3091 COC1=CC=C(C(C)=O)N=C1OC HB602-1 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.3091 COC1=CC=C([C@H](C)O)C=C1OC RC635-1 [0,1,0,0,0,0|0,0,2]=3 26 B13R2.57 N#CC1=CN=C2OCCOC2=C1 HC540-1 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.57 O=CC1=CN=C2OCCCC2=C1 HC498-1 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.57 O=CC1=CN=C2OCCOC2=C1 HC537-1 [0,0,0,1,0,0|1,0,0]=2 29 B13R2.57 OCC1=CN=C2OCCOC2=C1 HC541-1 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.25 COC1=NC=C(C)C=C1O HB497-1 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.25 COC1=NC=C(Cl)C=C1O HB326-1 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CN=CC(C=O)=C1 HB124-1 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.234 COC1=C(OC)C(Br)=NC(I)=C1 HB186-1 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.652 COC1=NC=C(Cl)C(I)=C1OC HB158-1 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.652 COC1=NC=C(Cl)C(O)=C1OC HB171-1 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.56 COC1=C(O)N=CC(C(=O)O)=C1 HB451-1 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.1864 COC(=O)C1=NC(OC)=C(OC)C=C1 HB573-1 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.3651 COC1=CC=C(C[C@@H](C)N)C=C1OC RC834-1 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.3651 COC1=CC=C(C[C@H](C)N)C=C1OC RC836-1 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.2282 COC1=CC(C=O)=C(OC)N=C1OC HB206-1 [0,2,0,0,0,0|1,0,0]=3 41 B12R2.24 BrC1=CN=C2OCCOC2=C1 HC525-1 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.24 ClC1=CN=C2OCCOC2=C1 HC546-1 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.24 IC1=CN=C2OCCOC2=C1 HC528-1 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 NC1=CN=C2OCCOC2=C1 HC542-1 [1,0,0,1,0,0|2,0,0]=4 45 B12R2.24 OC1=CN=C2OCCOC2=C1 HC538-1 [1,0,0,1,0,0|1,0,1]=4 46 B14R2.1128 O=CC1=C(Cl)C=C2OCCOC2=N1 HC570-1 [0,1,0,1,0,0|1,0,0]=3 47 B14R2.781 O=C(O)C1=CN=C2OCCCC2=C1 HC503-1 [0,1,0,1,0,0|2,0,0]=4 48 B14R2.781 O=C(O)C1=CN=C2OCCOC2=C1 HC539-1 [0,1,0,1,0,0|1,0,0]=3